3-[2-[3-(hydroxymethyl)-3-methyl-pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-[3-(hydroxymethyl)-3-methyl-pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[2-[3-(hydroxymethyl)-3-methyl-pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[2-[3-(hydroxymethyl)-3-methyl-1-pyrrolidinyl]ethyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[2-(3-methyl-3-methylol-pyrrolidino)ethyl]isocarbostyril Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCC(C3)(C)CO

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCC(C3)(C)CO

InChI

InChI=1S/C18H24N2O2/c1-13-4-3-5-15-16(13)10-14(19-17(15)22)6-8-20-9-7-18(2,11-20)12-21/h3-5,10,21H,6-9,11-12H2,1-2H3,(H,19,22)